FMO DATABASE

FMODB ID: 52R3Z

Calculation Name: 4ZXZ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4ZXZ

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: X-ray

Registration Date: 2023-06-22

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	431
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7849434.39988
FMO2-HF: Nuclear repulsion	7680578.907824
FMO2-HF: Total energy	-168855.492056
FMO2-MP2: Total energy	-169341.854147

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:10:ASN)

Summations of interaction energy for fragment #1(A:10:ASN)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-10.543	-6.619	0.389	-1.482	-2.831	0.001

Interaction energy analysis for fragmet #1(A:10:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.055 / q_NPA : -0.042

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	12	LEU	0	0.004	0.013	3.834	-0.813	0.490	-0.015	-0.557	-0.731	0.002
4	A	13	ASP	-1	-0.890	-0.935	6.615	0.522	0.522	0.000	0.000	0.000	0.000
5	A	14	PHE	0	-0.009	-0.014	8.338	0.276	0.276	0.000	0.000	0.000	0.000
6	A	15	THR	0	0.022	0.012	11.669	-0.049	-0.049	0.000	0.000	0.000	0.000
7	A	16	VAL	0	-0.033	-0.010	14.819	0.031	0.031	0.000	0.000	0.000	0.000
8	A	17	LEU	0	0.007	0.008	17.385	0.005	0.005	0.000	0.000	0.000	0.000
9	A	18	GLY	0	-0.007	-0.001	21.160	-0.016	-0.016	0.000	0.000	0.000	0.000
10	A	19	LEU	0	0.013	-0.006	23.013	0.019	0.019	0.000	0.000	0.000	0.000
11	A	20	ASN	0	-0.009	-0.027	26.529	-0.023	-0.023	0.000	0.000	0.000	0.000
12	A	21	SER	0	0.026	0.015	29.312	0.014	0.014	0.000	0.000	0.000	0.000
13	A	22	GLY	0	0.088	0.057	32.972	-0.008	-0.008	0.000	0.000	0.000	0.000
14	A	23	THR	0	0.009	-0.018	35.091	0.006	0.006	0.000	0.000	0.000	0.000
15	A	24	SER	0	-0.005	-0.009	38.226	0.002	0.002	0.000	0.000	0.000	0.000
16	A	25	MET	0	-0.063	-0.001	37.712	0.005	0.005	0.000	0.000	0.000	0.000
17	A	26	ASP	-1	-0.880	-0.952	38.399	-0.045	-0.045	0.000	0.000	0.000	0.000
18	A	27	GLY	0	0.018	0.012	36.683	0.006	0.006	0.000	0.000	0.000	0.000
19	A	28	ILE	0	-0.060	-0.013	30.960	-0.007	-0.007	0.000	0.000	0.000	0.000
20	A	29	ASP	-1	-0.847	-0.925	30.228	-0.055	-0.055	0.000	0.000	0.000	0.000
21	A	30	LEU	0	-0.036	-0.039	26.973	-0.008	-0.008	0.000	0.000	0.000	0.000
22	A	31	ALA	0	0.003	-0.008	24.359	0.005	0.005	0.000	0.000	0.000	0.000
23	A	32	LEU	0	-0.008	0.009	19.989	-0.016	-0.016	0.000	0.000	0.000	0.000
24	A	33	CYS	0	-0.046	-0.029	18.790	0.004	0.004	0.000	0.000	0.000	0.000
25	A	34	HIS	0	-0.032	-0.031	11.595	-0.012	-0.012	0.000	0.000	0.000	0.000
26	A	35	PHE	0	0.008	-0.005	12.868	-0.024	-0.024	0.000	0.000	0.000	0.000
27	A	36	TYR	0	0.021	0.006	6.778	-0.116	-0.116	0.000	0.000	0.000	0.000
28	A	37	GLN	0	0.060	0.028	8.836	0.022	0.022	0.000	0.000	0.000	0.000
29	A	38	LYS	1	0.956	0.984	6.294	-0.433	-0.433	0.000	0.000	0.000	0.000
30	A	39	THR	0	-0.013	-0.027	5.276	-0.131	-0.131	0.000	0.000	0.000	0.000
31	A	40	PRO	0	0.057	0.010	6.608	0.059	0.059	0.000	0.000	0.000	0.000
32	A	41	ASP	-1	-0.901	-0.947	9.618	-0.654	-0.654	0.000	0.000	0.000	0.000
33	A	42	ALA	0	-0.112	-0.027	10.413	0.118	0.118	0.000	0.000	0.000	0.000
34	A	43	PRO	0	0.040	0.010	12.271	-0.061	-0.061	0.000	0.000	0.000	0.000
35	A	44	MET	0	-0.034	0.015	12.251	-0.064	-0.064	0.000	0.000	0.000	0.000
36	A	45	GLU	-1	-0.942	-0.975	12.345	-0.176	-0.176	0.000	0.000	0.000	0.000
37	A	46	PHE	0	0.046	0.008	14.805	-0.025	-0.025	0.000	0.000	0.000	0.000
38	A	47	GLU	-1	-0.846	-0.919	17.555	0.036	0.036	0.000	0.000	0.000	0.000
39	A	48	LEU	0	-0.025	0.003	19.444	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	49	LEU	0	-0.046	-0.033	18.051	0.016	0.016	0.000	0.000	0.000	0.000
41	A	50	GLU	-1	-0.888	-0.944	22.448	0.055	0.055	0.000	0.000	0.000	0.000
42	A	51	TYR	0	-0.017	-0.019	25.160	-0.018	-0.018	0.000	0.000	0.000	0.000
43	A	52	GLY	0	-0.028	-0.018	27.869	0.012	0.012	0.000	0.000	0.000	0.000
44	A	53	GLU	-1	-0.922	-0.944	30.855	-0.040	-0.040	0.000	0.000	0.000	0.000
45	A	54	VAL	0	-0.029	0.001	32.793	0.008	0.008	0.000	0.000	0.000	0.000
46	A	55	PRO	0	0.042	0.009	35.076	-0.006	-0.006	0.000	0.000	0.000	0.000
47	A	56	TRP	0	0.014	0.008	34.852	0.006	0.006	0.000	0.000	0.000	0.000
48	A	57	ALA	0	0.008	0.007	39.087	0.003	0.003	0.000	0.000	0.000	0.000
49	A	58	GLN	0	0.051	-0.002	41.290	-0.005	-0.005	0.000	0.000	0.000	0.000
50	A	59	PRO	0	-0.030	-0.011	43.765	-0.002	-0.002	0.000	0.000	0.000	0.000
51	A	60	ILE	0	0.052	0.018	39.086	-0.002	-0.002	0.000	0.000	0.000	0.000
52	A	61	LYS	1	0.939	0.987	41.543	0.029	0.029	0.000	0.000	0.000	0.000
53	A	62	GLN	0	-0.005	0.001	42.425	-0.005	-0.005	0.000	0.000	0.000	0.000
54	A	63	ARG	1	0.725	0.819	43.462	0.021	0.021	0.000	0.000	0.000	0.000
55	A	64	VAL	0	0.012	-0.001	39.320	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	65	MET	0	-0.012	-0.014	41.804	-0.004	-0.004	0.000	0.000	0.000	0.000
57	A	66	ARG	1	0.833	0.907	44.663	0.030	0.030	0.000	0.000	0.000	0.000
58	A	67	MET	0	-0.008	-0.004	41.107	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	68	ILE	0	-0.003	0.001	40.398	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	69	GLN	0	-0.058	-0.017	44.603	-0.002	-0.002	0.000	0.000	0.000	0.000
61	A	70	GLU	-1	-0.901	-0.950	48.068	-0.036	-0.036	0.000	0.000	0.000	0.000
62	A	71	ASP	-1	-0.974	-0.967	45.839	-0.063	-0.063	0.000	0.000	0.000	0.000
63	A	72	THR	0	0.002	0.003	47.370	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	73	THR	0	0.003	-0.002	44.316	0.004	0.004	0.000	0.000	0.000	0.000
65	A	74	SER	0	-0.011	0.002	47.082	0.000	0.000	0.000	0.000	0.000	0.000
66	A	75	LEU	0	0.052	0.008	43.339	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	76	SER	0	0.004	-0.001	43.069	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	77	GLU	-1	-0.784	-0.848	43.464	-0.028	-0.028	0.000	0.000	0.000	0.000
69	A	78	LEU	0	0.020	0.013	40.537	0.000	0.000	0.000	0.000	0.000	0.000
70	A	79	SER	0	-0.049	-0.025	38.959	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	80	GLU	-1	-0.845	-0.922	38.549	-0.017	-0.017	0.000	0.000	0.000	0.000
72	A	81	VAL	0	-0.008	-0.010	38.456	0.002	0.002	0.000	0.000	0.000	0.000
73	A	82	ASN	0	-0.004	-0.016	33.046	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	83	VAL	0	0.019	0.009	34.448	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	84	ILE	0	0.020	0.012	34.992	0.004	0.004	0.000	0.000	0.000	0.000
76	A	85	LEU	0	-0.014	0.000	34.335	0.003	0.003	0.000	0.000	0.000	0.000
77	A	86	GLY	0	0.015	0.009	31.391	0.000	0.000	0.000	0.000	0.000	0.000
78	A	87	GLU	-1	-0.820	-0.896	31.468	0.012	0.012	0.000	0.000	0.000	0.000
79	A	88	THR	0	-0.030	-0.010	33.431	0.006	0.006	0.000	0.000	0.000	0.000
80	A	89	PHE	0	-0.004	-0.009	29.295	0.001	0.001	0.000	0.000	0.000	0.000
81	A	90	ALA	0	-0.008	-0.004	28.875	0.003	0.003	0.000	0.000	0.000	0.000
82	A	91	ASP	-1	-0.903	-0.952	29.935	0.026	0.026	0.000	0.000	0.000	0.000
83	A	92	ALA	0	-0.033	-0.015	31.020	0.007	0.007	0.000	0.000	0.000	0.000
84	A	93	VAL	0	-0.018	-0.008	25.401	0.004	0.004	0.000	0.000	0.000	0.000
85	A	94	HIS	0	-0.008	-0.013	28.250	0.015	0.015	0.000	0.000	0.000	0.000
86	A	95	GLN	0	-0.054	-0.019	30.045	0.008	0.008	0.000	0.000	0.000	0.000
87	A	96	PHE	0	0.010	0.004	25.512	0.004	0.004	0.000	0.000	0.000	0.000
88	A	97	ALA	0	0.008	-0.002	26.229	0.003	0.003	0.000	0.000	0.000	0.000
89	A	98	ALA	0	-0.010	0.008	27.896	0.013	0.013	0.000	0.000	0.000	0.000
90	A	99	GLU	-1	-0.953	-0.984	31.072	0.028	0.028	0.000	0.000	0.000	0.000
91	A	100	ARG	1	0.836	0.926	27.863	-0.017	-0.017	0.000	0.000	0.000	0.000
92	A	101	ASN	0	-0.088	-0.039	27.876	0.014	0.014	0.000	0.000	0.000	0.000
93	A	102	VAL	0	-0.010	-0.001	22.547	0.014	0.014	0.000	0.000	0.000	0.000
94	A	103	ASP	-1	-0.820	-0.899	21.945	0.245	0.245	0.000	0.000	0.000	0.000
95	A	104	LEU	0	0.061	0.034	21.704	0.008	0.008	0.000	0.000	0.000	0.000
96	A	105	SER	0	-0.102	-0.053	19.906	0.010	0.010	0.000	0.000	0.000	0.000
97	A	106	THR	0	-0.096	-0.079	17.154	0.050	0.050	0.000	0.000	0.000	0.000
98	A	107	ILE	0	-0.024	-0.001	16.629	-0.018	-0.018	0.000	0.000	0.000	0.000
99	A	108	ASP	-1	-0.855	-0.928	12.905	0.267	0.267	0.000	0.000	0.000	0.000
100	A	109	ALA	0	-0.018	-0.013	15.229	-0.012	-0.012	0.000	0.000	0.000	0.000
101	A	110	ILE	0	0.028	0.026	17.247	0.002	0.002	0.000	0.000	0.000	0.000
102	A	111	GLY	0	0.010	0.009	20.623	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	112	SER	0	-0.035	-0.021	21.401	0.014	0.014	0.000	0.000	0.000	0.000
104	A	113	HIS	0	0.019	0.014	25.113	-0.018	-0.018	0.000	0.000	0.000	0.000
105	A	114	GLY	0	-0.003	0.013	27.368	-0.002	-0.002	0.000	0.000	0.000	0.000
106	A	115	GLN	0	0.031	0.013	30.247	0.004	0.004	0.000	0.000	0.000	0.000
107	A	116	THR	0	-0.034	-0.029	33.261	-0.005	-0.005	0.000	0.000	0.000	0.000
108	A	117	ILE	0	-0.060	-0.027	35.264	0.006	0.006	0.000	0.000	0.000	0.000
109	A	118	TRP	0	0.029	-0.003	37.263	0.005	0.005	0.000	0.000	0.000	0.000
110	A	119	LEU	0	0.022	0.011	34.371	-0.007	-0.007	0.000	0.000	0.000	0.000
111	A	120	ASN	0	-0.011	0.013	37.652	0.005	0.005	0.000	0.000	0.000	0.000
112	A	121	SER	0	0.027	-0.024	36.006	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	122	MET	0	-0.063	-0.015	37.647	-0.005	-0.005	0.000	0.000	0.000	0.000
114	A	123	PRO	0	-0.045	-0.008	39.817	0.005	0.005	0.000	0.000	0.000	0.000
115	A	124	GLU	-1	-0.861	-0.920	42.874	-0.081	-0.081	0.000	0.000	0.000	0.000
116	A	125	GLU	-1	-0.948	-0.989	45.458	-0.084	-0.084	0.000	0.000	0.000	0.000
117	A	126	GLY	0	-0.048	-0.026	46.388	0.004	0.004	0.000	0.000	0.000	0.000
118	A	127	GLN	0	-0.045	-0.019	43.493	0.000	0.000	0.000	0.000	0.000	0.000
119	A	128	VAL	0	-0.016	-0.007	38.911	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	129	LYS	1	0.876	0.956	34.217	0.164	0.164	0.000	0.000	0.000	0.000
121	A	130	SER	0	-0.050	-0.022	35.322	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	131	CYS	0	0.036	0.003	32.669	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	132	LEU	0	-0.035	-0.004	34.333	-0.003	-0.003	0.000	0.000	0.000	0.000
124	A	133	THR	0	-0.002	-0.009	30.539	0.002	0.002	0.000	0.000	0.000	0.000
125	A	134	MET	0	-0.034	0.012	31.625	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	135	GLY	0	0.057	0.015	31.263	0.000	0.000	0.000	0.000	0.000	0.000
127	A	136	GLU	-1	-0.909	-0.933	29.519	-0.079	-0.079	0.000	0.000	0.000	0.000
128	A	137	GLY	0	0.094	0.038	26.197	0.009	0.009	0.000	0.000	0.000	0.000
129	A	138	ALA	0	-0.010	-0.007	26.092	0.012	0.012	0.000	0.000	0.000	0.000
130	A	139	ILE	0	-0.032	-0.008	27.543	0.015	0.015	0.000	0.000	0.000	0.000
131	A	140	ILE	0	0.038	0.021	25.171	0.013	0.013	0.000	0.000	0.000	0.000
132	A	141	ALA	0	0.022	0.020	23.236	0.016	0.016	0.000	0.000	0.000	0.000
133	A	142	ALA	0	-0.076	-0.039	24.713	0.024	0.024	0.000	0.000	0.000	0.000
134	A	143	ARG	1	0.778	0.854	27.412	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	144	THR	0	0.012	0.010	24.456	0.012	0.012	0.000	0.000	0.000	0.000
136	A	145	GLY	0	-0.008	0.000	23.786	0.023	0.023	0.000	0.000	0.000	0.000
137	A	146	ILE	0	-0.005	0.011	18.789	0.026	0.026	0.000	0.000	0.000	0.000
138	A	147	THR	0	-0.010	-0.030	16.787	-0.030	-0.030	0.000	0.000	0.000	0.000
139	A	148	THR	0	-0.017	-0.003	19.141	-0.012	-0.012	0.000	0.000	0.000	0.000
140	A	149	ILE	0	-0.034	-0.009	16.846	-0.012	-0.012	0.000	0.000	0.000	0.000
141	A	150	THR	0	0.044	0.022	20.984	0.009	0.009	0.000	0.000	0.000	0.000
142	A	151	ASP	-1	-0.808	-0.908	24.033	-0.162	-0.162	0.000	0.000	0.000	0.000
143	A	152	PHE	0	0.025	-0.007	20.353	-0.009	-0.009	0.000	0.000	0.000	0.000
144	A	153	ARG	1	0.891	0.919	25.275	0.139	0.139	0.000	0.000	0.000	0.000
145	A	154	ILE	0	0.040	0.012	28.283	-0.004	-0.004	0.000	0.000	0.000	0.000
146	A	155	SER	0	0.011	0.028	24.364	-0.010	-0.010	0.000	0.000	0.000	0.000
147	A	156	ASP	-1	-0.803	-0.902	26.437	-0.246	-0.246	0.000	0.000	0.000	0.000
148	A	157	ILE	0	0.007	0.005	27.531	0.002	0.002	0.000	0.000	0.000	0.000
149	A	158	ALA	0	-0.055	-0.019	27.883	0.004	0.004	0.000	0.000	0.000	0.000
150	A	159	ALA	0	-0.045	-0.018	26.255	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	160	GLY	0	-0.022	-0.012	28.225	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	161	ARG	1	0.775	0.889	25.044	0.286	0.286	0.000	0.000	0.000	0.000
153	A	162	GLN	0	0.015	-0.012	31.722	0.012	0.012	0.000	0.000	0.000	0.000
154	A	163	GLY	0	0.019	0.029	29.933	0.010	0.010	0.000	0.000	0.000	0.000
155	A	164	ALA	0	-0.045	-0.005	30.655	0.003	0.003	0.000	0.000	0.000	0.000
156	A	165	PRO	0	0.073	0.038	31.610	-0.004	-0.004	0.000	0.000	0.000	0.000
157	A	166	LEU	0	-0.076	-0.038	26.117	0.001	0.001	0.000	0.000	0.000	0.000
158	A	167	HIS	0	0.041	0.041	26.856	-0.007	-0.007	0.000	0.000	0.000	0.000
159	A	168	ALA	0	0.028	0.013	27.143	-0.010	-0.010	0.000	0.000	0.000	0.000
160	A	169	PHE	0	-0.015	-0.011	20.361	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	170	PHE	0	0.032	0.015	21.458	-0.010	-0.010	0.000	0.000	0.000	0.000
162	A	171	ASP	-1	-0.734	-0.857	24.113	-0.154	-0.154	0.000	0.000	0.000	0.000
163	A	172	ALA	0	0.021	0.009	25.863	0.009	0.009	0.000	0.000	0.000	0.000
164	A	173	LEU	0	-0.039	-0.023	19.783	0.002	0.002	0.000	0.000	0.000	0.000
165	A	174	LEU	0	-0.022	-0.016	23.434	0.004	0.004	0.000	0.000	0.000	0.000
166	A	175	LEU	0	-0.012	-0.006	24.979	0.014	0.014	0.000	0.000	0.000	0.000
167	A	176	HIS	1	0.742	0.857	23.105	0.232	0.232	0.000	0.000	0.000	0.000
168	A	177	HIS	0	0.050	0.049	27.503	-0.003	-0.003	0.000	0.000	0.000	0.000
169	A	178	PRO	0	0.018	0.004	28.619	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	179	THR	0	-0.070	-0.056	30.810	0.001	0.001	0.000	0.000	0.000	0.000
171	A	180	LYS	1	0.845	0.927	33.951	0.084	0.084	0.000	0.000	0.000	0.000
172	A	181	LEU	0	-0.028	0.006	34.233	-0.011	-0.011	0.000	0.000	0.000	0.000
173	A	182	ARG	1	0.747	0.846	30.059	0.122	0.122	0.000	0.000	0.000	0.000
174	A	183	ALA	0	0.014	0.015	34.899	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	184	CYS	0	-0.079	-0.022	30.840	0.009	0.009	0.000	0.000	0.000	0.000
176	A	185	GLN	0	0.061	0.068	34.047	-0.005	-0.005	0.000	0.000	0.000	0.000
177	A	186	ASN	0	-0.006	-0.041	33.683	0.010	0.010	0.000	0.000	0.000	0.000
178	A	187	ILE	0	-0.023	-0.009	35.808	0.000	0.000	0.000	0.000	0.000	0.000
179	A	188	GLY	0	0.069	0.048	37.246	0.006	0.006	0.000	0.000	0.000	0.000
180	A	189	GLY	0	0.036	0.020	38.146	0.003	0.003	0.000	0.000	0.000	0.000
181	A	190	ILE	0	-0.021	-0.015	37.962	0.004	0.004	0.000	0.000	0.000	0.000
182	A	191	ALA	0	0.007	0.002	38.238	-0.001	-0.001	0.000	0.000	0.000	0.000
183	A	192	ASN	0	0.030	0.040	32.807	0.004	0.004	0.000	0.000	0.000	0.000
184	A	193	VAL	0	-0.031	0.000	35.846	0.003	0.003	0.000	0.000	0.000	0.000
185	A	194	THR	0	-0.015	-0.031	30.051	-0.009	-0.009	0.000	0.000	0.000	0.000
186	A	195	PHE	0	-0.028	-0.024	33.345	0.009	0.009	0.000	0.000	0.000	0.000
187	A	196	ILE	0	-0.013	-0.030	29.551	-0.014	-0.014	0.000	0.000	0.000	0.000
188	A	197	PRO	0	-0.016	-0.009	32.203	0.008	0.008	0.000	0.000	0.000	0.000
189	A	198	PRO	0	0.022	0.018	31.790	-0.009	-0.009	0.000	0.000	0.000	0.000
190	A	199	ASP	-1	-0.849	-0.898	27.499	-0.189	-0.189	0.000	0.000	0.000	0.000
191	A	200	VAL	0	0.000	-0.006	28.986	0.014	0.014	0.000	0.000	0.000	0.000
192	A	201	ASP	-1	-0.947	-0.973	28.324	-0.184	-0.184	0.000	0.000	0.000	0.000
193	A	202	GLY	0	-0.068	-0.038	26.560	-0.012	-0.012	0.000	0.000	0.000	0.000
194	A	203	ARG	1	0.900	0.955	19.623	0.320	0.320	0.000	0.000	0.000	0.000
195	A	204	LEU	0	0.047	0.031	23.348	0.016	0.016	0.000	0.000	0.000	0.000
196	A	205	THR	0	0.006	0.018	25.831	-0.011	-0.011	0.000	0.000	0.000	0.000
197	A	206	ASP	-1	-0.877	-0.952	26.479	-0.287	-0.287	0.000	0.000	0.000	0.000
198	A	207	GLU	-1	-0.975	-1.005	28.559	-0.177	-0.177	0.000	0.000	0.000	0.000
199	A	208	TYR	0	-0.011	0.003	24.584	0.012	0.012	0.000	0.000	0.000	0.000
200	A	209	TYR	0	-0.098	-0.102	31.074	-0.008	-0.008	0.000	0.000	0.000	0.000
201	A	210	ASP	-1	-0.791	-0.915	30.696	-0.174	-0.174	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.031	-0.017	33.413	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	212	ASP	-1	-0.781	-0.892	36.032	-0.116	-0.116	0.000	0.000	0.000	0.000
204	A	213	THR	0	-0.016	-0.020	38.202	0.001	0.001	0.000	0.000	0.000	0.000
205	A	214	GLY	0	0.008	-0.001	41.222	0.004	0.004	0.000	0.000	0.000	0.000
206	A	215	PRO	0	-0.030	0.000	41.848	-0.003	-0.003	0.000	0.000	0.000	0.000
207	A	216	GLY	0	0.051	0.026	41.606	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	217	THR	0	-0.005	-0.001	42.300	0.002	0.002	0.000	0.000	0.000	0.000
209	A	218	VAL	0	-0.011	0.007	43.039	0.004	0.004	0.000	0.000	0.000	0.000
210	A	219	MET	0	-0.022	-0.014	44.761	0.003	0.003	0.000	0.000	0.000	0.000
211	A	220	ILE	0	0.021	0.018	46.836	0.003	0.003	0.000	0.000	0.000	0.000
212	A	221	ASP	-1	-0.825	-0.927	44.379	-0.044	-0.044	0.000	0.000	0.000	0.000
213	A	222	ALA	0	-0.060	-0.026	48.031	0.003	0.003	0.000	0.000	0.000	0.000
214	A	223	VAL	0	-0.006	-0.005	50.081	0.003	0.003	0.000	0.000	0.000	0.000
215	A	224	VAL	0	0.014	-0.002	50.683	0.002	0.002	0.000	0.000	0.000	0.000
216	A	225	ARG	1	0.917	0.981	46.588	0.042	0.042	0.000	0.000	0.000	0.000
217	A	226	HIS	0	-0.049	-0.025	52.177	0.002	0.002	0.000	0.000	0.000	0.000
218	A	227	PHE	0	-0.023	-0.019	55.360	0.002	0.002	0.000	0.000	0.000	0.000
219	A	228	THR	0	0.008	-0.008	54.134	0.002	0.002	0.000	0.000	0.000	0.000
220	A	229	ASN	0	-0.080	-0.042	56.490	0.002	0.002	0.000	0.000	0.000	0.000
221	A	230	GLY	0	0.011	0.008	52.258	0.001	0.001	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-1.006	-0.983	51.602	-0.013	-0.013	0.000	0.000	0.000	0.000
223	A	232	GLN	0	-0.036	-0.018	50.516	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	233	GLU	-1	-0.881	-0.960	45.169	-0.032	-0.032	0.000	0.000	0.000	0.000
225	A	234	TYR	0	0.011	0.005	44.748	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	235	ASP	-1	-0.784	-0.894	47.675	-0.029	-0.029	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.931	0.976	47.344	0.016	0.016	0.000	0.000	0.000	0.000
228	A	237	ASP	-1	-0.897	-0.959	47.207	-0.024	-0.024	0.000	0.000	0.000	0.000
229	A	238	GLY	0	-0.050	-0.021	48.660	0.000	0.000	0.000	0.000	0.000	0.000
230	A	239	GLU	-1	-0.918	-0.957	50.539	-0.021	-0.021	0.000	0.000	0.000	0.000
231	A	240	MET	0	-0.047	-0.040	53.636	0.000	0.000	0.000	0.000	0.000	0.000
232	A	241	GLY	0	-0.027	-0.022	53.429	0.000	0.000	0.000	0.000	0.000	0.000
233	A	242	LYS	1	0.939	0.973	52.729	0.028	0.028	0.000	0.000	0.000	0.000
234	A	243	ARG	1	0.763	0.882	55.889	0.023	0.023	0.000	0.000	0.000	0.000
235	A	244	GLY	0	-0.006	0.025	58.099	0.001	0.001	0.000	0.000	0.000	0.000
236	A	245	LYS	1	0.870	0.911	59.255	0.027	0.027	0.000	0.000	0.000	0.000
237	A	246	VAL	0	-0.005	-0.006	56.094	0.000	0.000	0.000	0.000	0.000	0.000
238	A	247	ASP	-1	-0.794	-0.899	58.887	-0.035	-0.035	0.000	0.000	0.000	0.000
239	A	248	GLN	0	-0.041	-0.052	56.003	0.000	0.000	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.952	-0.962	58.966	-0.038	-0.038	0.000	0.000	0.000	0.000
241	A	250	LEU	0	-0.009	-0.015	58.290	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	251	VAL	0	-0.029	0.002	53.619	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	252	ASP	-1	-0.854	-0.933	54.986	-0.050	-0.050	0.000	0.000	0.000	0.000
244	A	253	ASP	-1	-1.059	-1.021	56.569	-0.047	-0.047	0.000	0.000	0.000	0.000
245	A	254	PHE	0	0.066	0.021	49.732	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	255	LEU	0	-0.041	-0.019	50.063	-0.003	-0.003	0.000	0.000	0.000	0.000
247	A	256	LYS	1	0.931	0.964	52.223	0.048	0.048	0.000	0.000	0.000	0.000
248	A	257	HIS	0	-0.010	0.011	48.154	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	258	PRO	0	0.039	0.001	49.561	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	259	TYR	0	0.042	0.000	40.447	-0.002	-0.002	0.000	0.000	0.000	0.000
251	A	260	PHE	0	-0.007	-0.011	45.714	-0.005	-0.005	0.000	0.000	0.000	0.000
252	A	261	GLN	0	-0.054	-0.033	47.391	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	262	LEU	0	-0.030	0.010	43.781	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	263	ASP	-1	-0.884	-0.934	42.773	-0.097	-0.097	0.000	0.000	0.000	0.000
255	A	264	PRO	0	-0.055	-0.011	38.010	-0.003	-0.003	0.000	0.000	0.000	0.000
256	A	265	PRO	0	-0.014	0.000	35.407	0.001	0.001	0.000	0.000	0.000	0.000
257	A	266	LYS	1	0.823	0.894	37.367	0.100	0.100	0.000	0.000	0.000	0.000
258	A	267	THR	0	0.038	0.023	34.625	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	268	CYS	0	-0.050	-0.017	38.024	0.007	0.007	0.000	0.000	0.000	0.000
260	A	269	GLY	0	0.079	0.028	38.431	-0.006	-0.006	0.000	0.000	0.000	0.000
261	A	270	ARG	1	0.854	0.911	40.186	0.065	0.065	0.000	0.000	0.000	0.000
262	A	271	GLU	-1	-0.838	-0.916	41.268	-0.084	-0.084	0.000	0.000	0.000	0.000
263	A	272	VAL	0	-0.031	-0.008	43.421	0.004	0.004	0.000	0.000	0.000	0.000
264	A	273	PHE	0	-0.047	-0.029	44.057	0.004	0.004	0.000	0.000	0.000	0.000
265	A	274	ARG	1	0.963	1.002	46.504	0.062	0.062	0.000	0.000	0.000	0.000
266	A	275	ASP	-1	-0.806	-0.937	47.678	-0.046	-0.046	0.000	0.000	0.000	0.000
267	A	276	SER	0	-0.002	-0.010	49.948	0.001	0.001	0.000	0.000	0.000	0.000
268	A	277	LEU	0	0.008	0.013	49.681	0.002	0.002	0.000	0.000	0.000	0.000
269	A	278	ALA	0	0.014	0.007	51.018	0.001	0.001	0.000	0.000	0.000	0.000
270	A	279	HIS	0	0.029	0.013	53.015	0.002	0.002	0.000	0.000	0.000	0.000
271	A	280	ASP	-1	-0.929	-0.968	55.997	-0.040	-0.040	0.000	0.000	0.000	0.000
272	A	281	LEU	0	-0.059	-0.028	54.198	0.001	0.001	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.053	0.028	55.406	0.001	0.001	0.000	0.000	0.000	0.000
274	A	283	ARG	1	0.933	0.981	58.728	0.037	0.037	0.000	0.000	0.000	0.000
275	A	284	ARG	1	0.916	0.944	58.199	0.043	0.043	0.000	0.000	0.000	0.000
276	A	285	ALA	0	0.028	0.019	60.074	0.001	0.001	0.000	0.000	0.000	0.000
277	A	286	GLU	-1	-0.901	-0.953	62.124	-0.026	-0.026	0.000	0.000	0.000	0.000
278	A	287	ALA	0	-0.094	-0.041	64.537	0.001	0.001	0.000	0.000	0.000	0.000
279	A	288	LYS	1	0.824	0.915	63.674	0.035	0.035	0.000	0.000	0.000	0.000
280	A	289	GLY	0	-0.039	-0.016	67.013	0.000	0.000	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.062	-0.018	60.806	0.001	0.001	0.000	0.000	0.000	0.000
282	A	291	SER	0	-0.034	-0.012	63.209	0.001	0.001	0.000	0.000	0.000	0.000
283	A	292	PRO	0	0.068	0.010	59.550	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	293	ASP	-1	-0.756	-0.860	58.067	-0.025	-0.025	0.000	0.000	0.000	0.000
285	A	294	ASP	-1	-0.768	-0.874	57.888	-0.029	-0.029	0.000	0.000	0.000	0.000
286	A	295	ILE	0	-0.046	-0.002	56.517	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	296	VAL	0	0.023	0.010	52.612	-0.003	-0.003	0.000	0.000	0.000	0.000
288	A	297	ALA	0	0.016	0.014	53.478	-0.003	-0.003	0.000	0.000	0.000	0.000
289	A	298	THR	0	-0.025	-0.030	54.161	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	299	VAL	0	-0.006	-0.009	50.454	-0.003	-0.003	0.000	0.000	0.000	0.000
291	A	300	THR	0	-0.025	-0.017	49.037	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	301	ARG	1	0.944	0.963	49.519	0.042	0.042	0.000	0.000	0.000	0.000
293	A	302	ILE	0	-0.006	0.022	49.086	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	303	THR	0	-0.021	-0.014	44.622	-0.003	-0.003	0.000	0.000	0.000	0.000
295	A	304	ALA	0	-0.014	-0.009	46.348	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	305	GLN	0	-0.008	-0.009	47.395	0.000	0.000	0.000	0.000	0.000	0.000
297	A	306	SER	0	-0.013	-0.002	46.328	-0.003	-0.003	0.000	0.000	0.000	0.000
298	A	307	ILE	0	-0.020	-0.005	42.028	-0.004	-0.004	0.000	0.000	0.000	0.000
299	A	308	VAL	0	0.009	-0.003	44.367	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	309	ASP	-1	-0.903	-0.967	46.727	-0.066	-0.066	0.000	0.000	0.000	0.000
301	A	310	ALA	0	-0.032	-0.008	42.462	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	311	TYR	0	-0.034	-0.057	39.838	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.935	0.969	43.691	0.060	0.060	0.000	0.000	0.000	0.000
304	A	313	ARG	1	0.852	0.936	46.369	0.079	0.079	0.000	0.000	0.000	0.000
305	A	314	TYR	0	-0.004	-0.002	41.258	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.000	0.058	40.225	-0.008	-0.008	0.000	0.000	0.000	0.000
307	A	316	PRO	0	-0.041	-0.015	37.227	0.002	0.002	0.000	0.000	0.000	0.000
308	A	317	SER	0	0.016	-0.003	40.119	0.004	0.004	0.000	0.000	0.000	0.000
309	A	318	GLN	0	0.012	0.005	42.613	0.002	0.002	0.000	0.000	0.000	0.000
310	A	319	GLU	-1	-0.957	-0.972	43.212	-0.066	-0.066	0.000	0.000	0.000	0.000
311	A	320	ILE	0	-0.008	0.002	39.083	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	321	ASP	-1	-0.826	-0.882	38.014	-0.082	-0.082	0.000	0.000	0.000	0.000
313	A	322	GLU	-1	-0.789	-0.891	35.116	-0.081	-0.081	0.000	0.000	0.000	0.000
314	A	323	ILE	0	0.027	0.017	37.237	-0.007	-0.007	0.000	0.000	0.000	0.000
315	A	324	PHE	0	-0.019	-0.024	33.582	0.006	0.006	0.000	0.000	0.000	0.000
316	A	325	LEU	0	0.010	0.000	35.734	-0.005	-0.005	0.000	0.000	0.000	0.000
317	A	326	CYS	0	-0.032	-0.022	33.179	-0.003	-0.003	0.000	0.000	0.000	0.000
318	A	327	GLY	0	0.118	0.065	34.955	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	328	GLY	0	0.027	0.003	36.228	0.004	0.004	0.000	0.000	0.000	0.000
320	A	329	GLY	0	0.034	-0.005	39.286	0.005	0.005	0.000	0.000	0.000	0.000
321	A	330	ALA	0	-0.042	-0.013	38.756	0.002	0.002	0.000	0.000	0.000	0.000
322	A	331	TYR	0	-0.026	-0.014	37.224	0.001	0.001	0.000	0.000	0.000	0.000
323	A	332	ASN	0	0.035	0.014	42.976	0.005	0.005	0.000	0.000	0.000	0.000
324	A	333	PRO	0	0.044	0.020	46.058	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	334	ASN	0	-0.020	-0.009	48.121	0.000	0.000	0.000	0.000	0.000	0.000
326	A	335	ILE	0	-0.044	-0.015	44.479	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	336	VAL	0	0.032	0.010	43.337	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	337	GLU	-1	-0.928	-0.969	45.856	-0.038	-0.038	0.000	0.000	0.000	0.000
329	A	338	PHE	0	-0.044	-0.016	49.215	0.000	0.000	0.000	0.000	0.000	0.000
330	A	339	ILE	0	0.016	-0.005	43.153	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	340	GLN	0	-0.031	-0.022	45.621	0.000	0.000	0.000	0.000	0.000	0.000
332	A	341	GLN	0	-0.073	-0.041	47.587	0.002	0.002	0.000	0.000	0.000	0.000
333	A	342	ALA	0	-0.077	-0.027	48.508	0.001	0.001	0.000	0.000	0.000	0.000
334	A	343	TYR	0	-0.018	-0.020	45.494	-0.002	-0.002	0.000	0.000	0.000	0.000
335	A	344	PRO	0	-0.009	0.013	46.740	0.000	0.000	0.000	0.000	0.000	0.000
336	A	345	ASN	0	-0.036	-0.039	46.753	0.004	0.004	0.000	0.000	0.000	0.000
337	A	346	THR	0	-0.008	-0.006	41.280	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	347	LYS	1	0.939	0.974	39.713	0.056	0.056	0.000	0.000	0.000	0.000
339	A	348	ILE	0	0.030	0.015	40.155	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.080	-0.024	36.376	0.007	0.007	0.000	0.000	0.000	0.000
341	A	350	MET	0	0.043	0.034	36.183	-0.005	-0.005	0.000	0.000	0.000	0.000
342	A	351	LEU	0	0.033	-0.004	29.097	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.846	-0.925	31.481	-0.063	-0.063	0.000	0.000	0.000	0.000
344	A	353	GLU	-1	-0.953	-0.969	31.652	-0.048	-0.048	0.000	0.000	0.000	0.000
345	A	354	ALA	0	-0.062	-0.030	29.399	0.000	0.000	0.000	0.000	0.000	0.000
346	A	355	GLY	0	-0.024	-0.017	27.298	-0.011	-0.011	0.000	0.000	0.000	0.000
347	A	356	ILE	0	-0.059	-0.030	23.898	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	357	PRO	0	0.010	0.008	27.665	0.001	0.001	0.000	0.000	0.000	0.000
349	A	358	ALA	0	0.021	0.004	30.177	-0.008	-0.008	0.000	0.000	0.000	0.000
350	A	359	ARG	1	0.936	0.957	32.235	0.033	0.033	0.000	0.000	0.000	0.000
351	A	360	ALA	0	0.026	0.028	27.405	0.001	0.001	0.000	0.000	0.000	0.000
352	A	361	LYS	1	0.827	0.912	27.208	0.133	0.133	0.000	0.000	0.000	0.000
353	A	362	GLU	-1	-0.871	-0.950	26.505	-0.127	-0.127	0.000	0.000	0.000	0.000
354	A	363	ALA	0	0.019	0.023	26.290	-0.015	-0.015	0.000	0.000	0.000	0.000
355	A	364	ILE	0	0.001	-0.011	21.797	-0.010	-0.010	0.000	0.000	0.000	0.000
356	A	365	THR	0	-0.065	-0.027	21.801	-0.029	-0.029	0.000	0.000	0.000	0.000
357	A	366	PHE	0	0.051	0.012	21.856	-0.034	-0.034	0.000	0.000	0.000	0.000
358	A	367	ALA	0	0.046	0.021	19.506	-0.013	-0.013	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.066	-0.044	17.184	-0.015	-0.015	0.000	0.000	0.000	0.000
360	A	369	LEU	0	-0.009	-0.012	17.089	-0.063	-0.063	0.000	0.000	0.000	0.000
361	A	370	GLY	0	0.024	0.004	17.877	-0.033	-0.033	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.030	-0.005	12.241	-0.095	-0.095	0.000	0.000	0.000	0.000
363	A	372	GLU	-1	-0.750	-0.867	12.931	-0.843	-0.843	0.000	0.000	0.000	0.000
364	A	373	CYS	0	-0.063	-0.027	14.152	-0.077	-0.077	0.000	0.000	0.000	0.000
365	A	374	LEU	0	-0.056	-0.024	11.489	0.003	0.003	0.000	0.000	0.000	0.000
366	A	375	VAL	0	-0.040	-0.025	8.215	-0.115	-0.115	0.000	0.000	0.000	0.000
367	A	376	GLY	0	-0.047	0.005	10.438	-0.128	-0.128	0.000	0.000	0.000	0.000
368	A	377	ARG	1	0.780	0.871	11.169	0.968	0.968	0.000	0.000	0.000	0.000
369	A	378	SER	0	-0.027	-0.027	14.522	0.100	0.100	0.000	0.000	0.000	0.000
370	A	379	ILE	0	0.002	0.008	17.770	-0.035	-0.035	0.000	0.000	0.000	0.000
371	A	380	PRO	0	0.013	0.010	19.142	0.006	0.006	0.000	0.000	0.000	0.000
372	A	381	VAL	0	-0.014	0.005	21.744	0.023	0.023	0.000	0.000	0.000	0.000
373	A	382	PRO	0	0.044	0.040	25.127	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	383	SER	0	0.015	0.003	28.325	0.000	0.000	0.000	0.000	0.000	0.000
375	A	384	ARG	1	0.932	0.951	31.246	0.141	0.141	0.000	0.000	0.000	0.000
376	A	385	VAL	0	0.016	0.019	29.702	0.004	0.004	0.000	0.000	0.000	0.000
377	A	386	GLU	-1	-0.835	-0.918	33.140	-0.168	-0.168	0.000	0.000	0.000	0.000
378	A	387	THR	0	-0.015	-0.013	29.666	-0.007	-0.007	0.000	0.000	0.000	0.000
379	A	388	ARG	1	0.866	0.923	26.901	0.253	0.253	0.000	0.000	0.000	0.000
380	A	389	GLN	0	-0.033	0.000	25.346	-0.030	-0.030	0.000	0.000	0.000	0.000
381	A	390	GLY	0	0.067	0.038	21.363	0.010	0.010	0.000	0.000	0.000	0.000
382	A	391	TYR	0	-0.020	-0.029	21.652	0.003	0.003	0.000	0.000	0.000	0.000
383	A	392	VAL	0	-0.007	0.012	16.635	0.003	0.003	0.000	0.000	0.000	0.000
384	A	393	LEU	0	-0.023	-0.017	19.353	0.039	0.039	0.000	0.000	0.000	0.000
385	A	394	GLY	0	0.021	0.003	20.238	-0.017	-0.017	0.000	0.000	0.000	0.000
386	A	395	LYS	1	0.829	0.918	21.799	0.141	0.141	0.000	0.000	0.000	0.000
387	A	396	ILE	0	0.017	-0.002	16.508	0.020	0.020	0.000	0.000	0.000	0.000
388	A	397	SER	0	-0.011	-0.001	20.345	0.014	0.014	0.000	0.000	0.000	0.000
389	A	398	PRO	0	-0.053	-0.039	19.549	0.012	0.012	0.000	0.000	0.000	0.000
390	A	399	GLY	0	0.100	0.061	19.446	0.004	0.004	0.000	0.000	0.000	0.000
391	A	400	LEU	0	-0.044	-0.039	20.163	0.010	0.010	0.000	0.000	0.000	0.000
392	A	401	ASN	0	-0.009	0.007	15.738	-0.004	-0.004	0.000	0.000	0.000	0.000
393	A	402	TYR	0	0.018	0.029	15.046	0.052	0.052	0.000	0.000	0.000	0.000
394	A	403	ARG	1	0.988	0.964	14.352	-0.208	-0.208	0.000	0.000	0.000	0.000
395	A	404	SER	0	-0.040	-0.022	11.598	-0.010	-0.010	0.000	0.000	0.000	0.000
396	A	405	VAL	0	0.078	0.042	10.226	0.178	0.178	0.000	0.000	0.000	0.000
397	A	406	MET	0	0.021	0.016	9.861	-0.120	-0.120	0.000	0.000	0.000	0.000
398	A	407	LYS	1	0.863	0.932	8.328	-0.804	-0.804	0.000	0.000	0.000	0.000
399	A	408	LYS	1	0.885	0.957	5.499	-0.604	-0.604	0.000	0.000	0.000	0.000
400	A	409	GLY	0	0.016	0.020	5.118	-1.142	-1.094	-0.001	0.000	-0.047	0.000
401	A	410	MET	0	-0.028	-0.034	6.999	-0.453	-0.453	0.000	0.000	0.000	0.000
402	A	411	ALA	0	-0.021	0.006	3.054	-1.108	-0.122	0.317	-0.327	-0.976	0.002
403	A	412	PHE	0	-0.035	-0.002	3.334	-5.111	-3.800	0.090	-0.580	-0.821	-0.003
404	A	413	GLY	0	0.027	0.004	4.116	1.037	1.206	0.000	-0.008	-0.161	0.000
405	A	414	GLY	0	-0.064	-0.028	4.497	0.781	0.835	-0.001	-0.010	-0.043	0.000
406	A	415	ASP	-1	-0.918	-0.963	5.322	-1.564	-1.511	-0.001	0.000	-0.052	0.000
407	A	416	ALA	0	-0.081	-0.025	8.741	0.454	0.454	0.000	0.000	0.000	0.000
408	A	417	GLN	0	-0.013	-0.019	10.847	-0.010	-0.010	0.000	0.000	0.000	0.000
409	A	418	GLN	0	-0.007	-0.002	13.625	0.063	0.063	0.000	0.000	0.000	0.000
410	A	419	LEU	0	0.011	0.008	9.086	-0.077	-0.077	0.000	0.000	0.000	0.000
411	A	420	PRO	0	-0.012	0.004	12.227	0.114	0.114	0.000	0.000	0.000	0.000
412	A	421	PRO	0	0.034	0.002	14.374	-0.071	-0.071	0.000	0.000	0.000	0.000
413	A	422	VAL	0	0.010	0.012	14.237	-0.007	-0.007	0.000	0.000	0.000	0.000
414	A	423	SER	0	-0.023	-0.019	16.453	0.072	0.072	0.000	0.000	0.000	0.000
415	A	424	GLU	-1	-0.812	-0.896	17.744	-0.218	-0.218	0.000	0.000	0.000	0.000
416	A	425	MET	0	-0.038	-0.003	17.255	-0.067	-0.067	0.000	0.000	0.000	0.000
417	A	426	ILE	0	-0.036	-0.005	16.089	0.044	0.044	0.000	0.000	0.000	0.000
418	A	427	VAL	0	0.064	0.039	18.471	-0.014	-0.014	0.000	0.000	0.000	0.000
419	A	428	LYS	1	0.865	0.929	15.473	0.137	0.137	0.000	0.000	0.000	0.000
420	A	429	LYS	1	0.941	0.971	20.583	0.040	0.040	0.000	0.000	0.000	0.000
421	A	430	LYS	1	0.946	0.961	22.075	-0.026	-0.026	0.000	0.000	0.000	0.000
422	A	431	GLY	0	-0.010	-0.012	19.178	0.015	0.015	0.000	0.000	0.000	0.000
423	A	432	LYS	1	0.857	0.936	20.067	-0.041	-0.041	0.000	0.000	0.000	0.000
424	A	433	VAL	0	0.024	0.006	19.620	-0.007	-0.007	0.000	0.000	0.000	0.000
425	A	434	ILE	0	-0.016	-0.004	22.110	0.016	0.016	0.000	0.000	0.000	0.000
426	A	435	THR	0	0.003	0.003	24.271	-0.018	-0.018	0.000	0.000	0.000	0.000
427	A	436	ASN	0	0.057	0.027	26.169	0.009	0.009	0.000	0.000	0.000	0.000
428	A	437	ASN	0	0.013	0.011	26.324	0.000	0.000	0.000	0.000	0.000	0.000
429	A	438	TRP	0	-0.082	-0.052	29.330	0.005	0.005	0.000	0.000	0.000	0.000
430	A	439	ASP	-1	-0.862	-0.938	32.606	-0.068	-0.068	0.000	0.000	0.000	0.000
431	A	440	LEU	0	-0.033	-0.001	30.204	-0.002	-0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:10:ASN)